2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine

C27H32N2 — CID 71240648

IUPAC2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1ccc(C)cc1C)C2
InChIInChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
InChIKeyCCTAROKFVVAOQE-UHFFFAOYSA-N
MW384.57 g/mol
LogP6.36
Rot. Bonds4

About 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine

2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 71240648) has the molecular formula C27H32N2 and a molecular weight of 384.57 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID71240648
Molecular FormulaC27H32N2
Molecular Weight384.57 g/mol
Exact Mass384.26
IUPAC Name2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESCCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1ccc(C)cc1C)C2
InChIInChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3
InChIKeyCCTAROKFVVAOQE-UHFFFAOYSA-N
XLogP6.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.57
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine (CID 71240648) is 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine is CCc1cccc(CC)c1-c1cc(C)c2c(n1)CCN(c1ccc(C)cc1C)C2.
What is the InChIKey of 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is CCTAROKFVVAOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2/c1-6-21-9-8-10-22(7-2)27(21)25-16-19(4)23-17-29(14-13-24(23)28-25)26-12-11-18(3)15-20(26)5/h8-12,15-16H,6-7,13-14,17H2,1-5H3.
What are the key properties of 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine?
2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 384.57 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-6-(2,4-dimethylphenyl)-4-methyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 71240648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).